5-nitro-2-piperidin-1-ylbenzenesulfonamide

C11H15N3O4S — CID 14910325

IUPAC5-nitro-2-piperidin-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C11H15N3O4S/c12-19(17,18)11-8-9(14(15)16)4-5-10(11)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H2,12,17,18)
InChIKeyDFIRPSFODORQDB-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.23
Rot. Bonds3

About 5-nitro-2-piperidin-1-ylbenzenesulfonamide

5-nitro-2-piperidin-1-ylbenzenesulfonamide (PubChem CID 14910325) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-nitro-2-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-nitro-2-piperidin-1-ylbenzenesulfonamide
PubChem CID14910325
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name5-nitro-2-piperidin-1-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C11H15N3O4S/c12-19(17,18)11-8-9(14(15)16)4-5-10(11)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H2,12,17,18)
InChIKeyDFIRPSFODORQDB-UHFFFAOYSA-N
XLogP1.23
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Aminoanilino)-5-nitrobenzenesulphonic acid
CID 3265240
1-((3-Nitrophenyl)sulfonyl)pyrrolidine
CID 247203
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
Benzenesulfonamide, 2-amino-N-ethyl-5-nitro-N-phenyl-
CID 67001
1-(3-Nitrophenylsulfonyl)piperidine
CID 300664
4-[2-(4-Ethylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
CID 558538
2-Ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine
CID 622835
N-{3-[(4-nitrophenyl)amino]propyl}benzenesulfonamide
CID 2883302
1-(Benzenesulfonyl)-4-(4-nitrophenyl)piperazine
CID 3113458
4-{[2-(4-Methyl-1-piperazinyl)-5-nitrophenyl]sulfonyl}morpholine
CID 2920401
2-(Hexylamino)-5-nitrobenzenesulfonamide
CID 44586645
2-(hexylamino)-N-methyl-5-nitrobenzenesulfonamide
CID 155167971

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-nitro-2-piperidin-1-ylbenzenesulfonamide (CID 14910325) is 5-nitro-2-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-nitro-2-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-nitro-2-piperidin-1-ylbenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of 5-nitro-2-piperidin-1-ylbenzenesulfonamide?
The InChIKey is DFIRPSFODORQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-19(17,18)11-8-9(14(15)16)4-5-10(11)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H2,12,17,18).
What are the key properties of 5-nitro-2-piperidin-1-ylbenzenesulfonamide?
5-nitro-2-piperidin-1-ylbenzenesulfonamide has a molecular weight of 285.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 14910325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).